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3- (Ethoxymethyl) benzenemethanol

CAT: 0127-OR1081652-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1081652-01Size:250 mg
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CAS Number
125604-04-8
MDL Number
MFCD35189546
Purity
95%
Smiles
C (OCC) c1cc (CO) ccc1

Chemical Information

3-(Ethoxymethyl)benzenemethanol
CAS Number125604-04-8
PubChem CID135368458
IUPAC Name[3-(ethoxymethyl)phenyl]methanol
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP1.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity114
SMILES
CCOCC1=CC=CC(=C1)CO
InChI
InChI=1S/C10H14O2/c1-2-12-8-10-5-3-4-9(6-10)7-11/h3-6,11H,2,7-8H2,1H3
InChIKey
ZTODSBIWCZJPTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Ethoxymethyl)benzenemethanol
CAS: 125604-04-8
CID: 135368458
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity114
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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